SCHEMBL13769293

SCHEMBL13769293

c1cc(-c2ccc(C3CCCCC3)cc2)ccc1Nc1ccc(-c2ccc(C3CCCCC3)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 1/20 0.47
MAPT P10636 3/20 0.46
GAA P10253 2/20 0.46
HDAC8 Q9BY41 2/20 0.46
HDAC6 Q9UBN7 2/20 0.46
HDAC3 O15379 1/20 0.46
HDAC11 Q96DB2 1/20 0.46
RAB9A P51151 1/20 0.46
DEGS1 O15121 1/20 0.46
NOTUM Q6P988 3/20 0.46
HSP90AA1 P07900 1/20 0.46
KMT2A Q03164 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
ALDH1A1 P00352 3/20 0.45
LMNA P02545 2/20 0.45
TP53 P04637 1/20 0.45
ATM Q13315 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
MITF O75030 1/20 0.43
KLF5 Q13887 1/20 0.43

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL13769496 0.98 NOTUM (0.44) NPY5RMAPTGAAHDAC8HDAC6
SCHEMBL3300753 0.94 MAPT (0.50) NPY5RMAPTGAAHDAC8HDAC6
SCHEMBL11201092 0.94 MAPT (0.50) NPY5RMAPTGAAHDAC8HDAC6
SCHEMBL27199120 0.93 NPY5R (0.52) NPY5RMAPTGAAHDAC8HDAC6
SCHEMBL25906728 0.93 NPY5R (0.52) NPY5RMAPTGAAHDAC8HDAC6
SCHEMBL27199121 0.93 NPY5R (0.52) NPY5RMAPTGAAHDAC8HDAC6
SCHEMBL31347788 0.93 NPY5R (0.56) NPY5RMAPTGAAHDAC8HDAC6
SCHEMBL27199114 0.93 NPY5R (0.52) NPY5RMAPTGAAHDAC8HDAC6
SCHEMBL13769283 0.89 NPC1 (0.46) NPY5RMAPTHDAC8HDAC6HDAC3
SCHEMBL29196025 0.87 ESR2 (0.45) NPY5RMAPTGAAHDAC8HDAC6

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009082157-A2 ARYL AMINE DERIVATIVE AND ORGANIC ELECTROLUMINESCENCE DEVICE USING THE SAME DOOSAN CORPORATION (KR) 2009-07-02 WO disclosed